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Updated: May 18, 2026

Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
1-Eth-oxy-2-meth-oxy-4-[2-(4-nitro-phen-yl)ethen-yl]benzene
This study details the molecular structure of C(17)H(17)NO(4), revealing specific dihedral angles between aromatic rings and substituent twists. Crystal structure analysis identified C-H⋯π interactions as key stabilizing forces.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding molecular geometry is crucial for predicting chemical properties.
- Aromatic ring interactions influence molecular conformation and reactivity.
Purpose of the Study:
- To elucidate the detailed three-dimensional structure of the molecule C(17)H(17)NO(4).
- To investigate the conformational preferences and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational insights.
Main Results:
- The dihedral angle between the two aromatic rings was determined to be 42.47°.
- The nitro group exhibited a twist of 7.44° relative to its attached phenyl ring.
- Methoxy and ethoxy oxygen atoms showed significant deviations from the phenyl ring plane.
- Crystal structure stabilization was attributed to C-H⋯π interactions.
Conclusions:
- The molecule C(17)H(17)NO(4) possesses a non-planar conformation with specific rotational preferences.
- Intermolecular C-H⋯π interactions play a significant role in the crystal packing and stability of this compound.
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